Chem
J-GLOBAL ID:200907049792023230   Nikkaji number:J1.794.032E

α-Cyano-α-[[1-oxo-2-[(chloroacetyl)oxy]-3-methylbutyl]amino]-4-methylbenzenepropanoic acid ethyl ester

α-シアノ-α-[[1-オキソ-2-[(クロロアセチル)オキシ]-3-メチルブチル]アミノ]-4-メチルベンゼンプロパン酸エチル
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C20H25ClN2O5
Molecular formula furigana: C20-H25-CL-N2-O5
Molecular weight: 408.880
InChI: InChI=1S/C20H25ClN2O5/c1-5-27-19(26)20(12-22,10-15-8-6-14(4)7-9-15)23-18(25)17(13(2)3)28-16(24)11-21/h6-9,13,17H,5,10-11H2,1-4H3,(H,23,25)
InChI key: VMEQVILFRXBJFB-UHFFFAOYSA-N
SMILES: CCOC(=O)C(Cc1ccc(C)cc1)(NC(=O)C(OC(=O)CCl)C(C)C)C#N
Systematic name  (3):
  • α-シアノ-α-[[1-オキソ-2-[(クロロアセチル)オキシ]-3-メチルブチル]アミノ]-4-メチルベンゼンプロパン酸エチル
  • エチル 2-{2-[(2-クロロアセチル)オキシ]-3-メチルブタンアミド}-2-シアノ-3-(4-メチルフェニル)プロパノアート
  • ethyl 2-{2-[(2-chloroacetyl)oxy]-3-methylbutanamido}-2-cyano-3-(4-methylphenyl)propanoate
Other name (1):
  • α-Cyano-α-[[1-oxo-2-[(chloroacetyl)oxy]-3-methylbutyl]amino]-4-methylbenzenepropanoic acid ethyl ester
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